Vitas-M small molecule compound
(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-cyclopentylhexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK642975
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)C1CCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H23ClN2O4S MW 398.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23ClN2O4S/c1-25-17-7-6-13(8-14(17)19)21-16-11-26(23,24)10-15(16)20(9-18(21)22)12-4-2-3-5-12/h6-8,12,15-16H,2-5,9-11H2,1H3/t15-,16+/m0/s1InChIKey
IBTCVOBQOMIGJY-JKSUJKDBSA-NSynonyms
1212455-68-9(4aR7aS)1(3chloro4methoxyphenyl)4cyclopentylhexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)1cyclopentyl66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212455689
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)C4CCCC4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)C1CCCC1
InChI=1SC18H23ClN2O4Sc125177613(814(17)19)21161126(2324)1015(16)20(918(21)22)12423512h68121516H25911H21H3t1516+m0s1
MFCD18246718
ZINC000055408622
ZINC55408622
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